2-nitro-4,6-bis(trifluoromethyl)phenolate

Systemtic Name: 2-nitro-4,6-bis(trifluoromethyl)phenolate Openeye Name: 2-nitro-4,6-bis(trifluoromethyl)phenolate CAS Name: 2-nitro-4,6-bis(trifluoromethyl)phenolate IUPAC Name: 2-nitro-4,6-bis(trifluoromethyl)phenolate Traditional Name: 2-nitro-4,6-bis(trifluoromethyl)phenolate Formula: C8H2F6NO3- MolecularWeight: 274.096799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(F)(F)F)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1C(F)(F)F)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C8H3F6NO3/c9-7(10,11)3-1-4(8(12,13)14)6(16)5(2-3)15(17)18/h1-2,16H/p-1